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	hartrees
Energy at 0K	-192.223420
Energy at 298.15K	-192.224232
HF Energy	-191.534990
Nuclear repulsion energy	121.289309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3031	0.00
2	A₁	1944	1838	0.00
3	A₁	1488	1407	0.00
4	A₁	747	707	0.00
5	B₁	693	655	0.00
6	B₂	3206	3030	4.66
7	B₂	2221	2100	112.22
8	B₂	1548	1464	3.20
9	B₂	1335	1262	10.39
10	E	3296	3116	1.87
10	E	3296	3116	1.87
11	E	1038	981	0.05
11	E	1038	981	0.05
12	E	858	811	58.32
12	E	858	811	58.32
13	E	366	346	0.03
13	E	366	346	0.03
14	E	200	189	1.14
14	E	200	189	1.14
15	E	148	140	4.49
15	E	148	140	4.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.287
C3	0.000	0.000	-1.287
C4	0.000	0.000	2.611
C5	0.000	0.000	-2.611
H6	0.000	0.927	3.170
H7	0.000	-0.927	3.170
H8	0.927	0.000	-3.170
H9	-0.927	0.000	-3.170

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2872	1.2872	2.6107	2.6107	3.3025	3.3025	3.3025	3.3025
C2	1.2872		2.5743	1.3235	3.8979	2.0985	2.0985	4.5522	4.5522
C3	1.2872	2.5743		3.8979	1.3235	4.5522	4.5522	2.0985	2.0985
C4	2.6107	1.3235	3.8979		5.2214	1.0827	1.0827	5.8542	5.8542
C5	2.6107	3.8979	1.3235	5.2214		5.8542	5.8542	1.0827	1.0827
H6	3.3025	2.0985	4.5522	1.0827	5.8542		1.8547	6.4734	6.4734
H7	3.3025	2.0985	4.5522	1.0827	5.8542	1.8547		6.4734	6.4734
H8	3.3025	4.5522	2.0985	5.8542	1.0827	6.4734	6.4734		1.8547
H9	3.3025	4.5522	2.0985	5.8542	1.0827	6.4734	6.4734	1.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	121.077
C2	C4	H7	121.077	C3	C5	H8	121.077
C3	C5	H9	121.077	H6	C4	H7	117.846
H8	C5	H9	117.846

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: QCISD/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)